1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide

C13H22N4O2 — CID 17144219

IUPAC1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NCCCN2CCOCC2)n1
InChIInChI=1S/C13H22N4O2/c1-2-17-7-4-12(15-17)13(18)14-5-3-6-16-8-10-19-11-9-16/h4,7H,2-3,5-6,8-11H2,1H3,(H,14,18)
InChIKeyZVPRFMNDXJINGW-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.36
Rot. Bonds6

About 1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide

1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide (PubChem CID 17144219) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
PubChem CID17144219
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NCCCN2CCOCC2)n1
InChIInChI=1S/C13H22N4O2/c1-2-17-7-4-12(15-17)13(18)14-5-3-6-16-8-10-19-11-9-16/h4,7H,2-3,5-6,8-11H2,1H3,(H,14,18)
InChIKeyZVPRFMNDXJINGW-UHFFFAOYSA-N
XLogP0.36
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide (CID 17144219) is 1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide is CCn1ccc(C(=O)NCCCN2CCOCC2)n1.
What is the InChIKey of 1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The InChIKey is ZVPRFMNDXJINGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-17-7-4-12(15-17)13(18)14-5-3-6-16-8-10-19-11-9-16/h4,7H,2-3,5-6,8-11H2,1H3,(H,14,18).
What are the key properties of 1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 17144219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).